SCHEMBL12780618

SCHEMBL12780618

CCNC(=O)c1ccccc1Nc1nc(Nc2cc(OCC)c(N3CCOCC3)cc2OCC)ncc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 7/20 0.61
▸ MAPK10 P53779 7/20 0.61
▸ EGFR P00533 6/20 0.61
▸ MAPK8 P45983 4/20 0.61
▸ PTK2 Q05397 4/20 0.61
▸ INSR P06213 3/20 0.61
▸ IGF1R P08069 3/20 0.61
▸ PTK2B Q14289 2/20 0.61
▸ BTK Q06187 2/20 0.61
▸ LRRK2 Q5S007 2/20 0.61
▸ ALK Q9UM73 2/20 0.61
▸ CDC7 O00311 1/20 0.61
▸ PLK4 O00444 1/20 0.61
▸ CHEK1 O14757 1/20 0.61
▸ AURKA O14965 1/20 0.61
▸ DCLK1 O15075 1/20 0.61
▸ PDPK1 O15530 1/20 0.61
▸ DAPK3 O43293 1/20 0.61
▸ DYRK3 O43781 1/20 0.61
▸ JAK2 O60674 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12780204 0.91 ULK1 (0.60) MAPK9MAPK10EGFRMAPK8PTK2
SCHEMBL1911944 0.86 LRRK2 (0.74) MAPK9MAPK10EGFRMAPK8PTK2
SCHEMBL12892938 0.85 ULK1 (0.58) MAPK9MAPK10EGFRMAPK8PTK2
SCHEMBL1911938 0.83 ALK (0.64) MAPK9MAPK10EGFRMAPK8PTK2
SCHEMBL12780182 0.83 ZAP70 (0.58) EGFRINSRIGF1RBTKLRRK2
SCHEMBL12781903 0.82 ZAP70 (0.59) MAPK9MAPK10EGFRMAPK8PTK2
SCHEMBL12729763 0.82 PTK2 (0.61) MAPK9MAPK10EGFRMAPK8PTK2
SCHEMBL12781911 0.81 ALK (0.59) EGFRINSRIGF1RBTKLRRK2
SCHEMBL10209508 0.80 ZAP70 (0.69) MAPK9MAPK10EGFRMAPK8PTK2
SCHEMBL12780631 0.80 EGFR (0.67) MAPK9MAPK10EGFRMAPK8PTK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 — — US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 — — US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 — — US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 — — US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD MAPK9 2654/4885MAPK10 2423/4885EGFR 2731/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD MAPK9 2917/4885MAPK10 2658/4885EGFR 2285/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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